Theoretical investigations of the impurity axial displacement for ZnO:V3+

doi:10.1116/1.3573978

IMR OpenIR

	Theoretical investigations of the impurity axial displacement for ZnO:V3+
	Zhang, Zhi-Hong 1; Wu, Shao-Yi 2; Zhang, Hua-Ming 1
通讯作者	Zhang, Zhi-Hong(zhi_hongzhang@yahoo.cn)
	2011-05-01
发表期刊	JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A
ISSN	0734-2101
卷号	29 期号:3 页码:6
摘要	The local structure of the V3+ center in ZnO crystal is theoretically investigated using the perturbation formulas of the spin Hamiltonian parameters for a 3d(2) ion in trigonally distorted tetrahedra. From the studies, the impurity V3+ is found not to occupy the ideal Zn2+ site in ZnO but to suffer an outward displacement of about 0.08 angstrom away from the oxygen triangle along the C-3 axis. The calculated spin Hamiltonian parameters based on the above impurity displacement show good agreement with the experimental data. The outward displacement of the impurity V3+ in ZnO can be attributed to the local tension due to the size and charge mismatching substitution of the host Zn2+ by the larger and higher charged V3+. The studies of this work would be helpful to the investigations of the structure properties of ZnO (or other similar II-VI semiconductors) doped with transition-metal ions. (C) 2011 American Vacuum Society. [DOI: 10.1116/1.3573978]
资助者	UESTC
DOI	10.1116/1.3573978
收录类别	SCI
语种	英语
资助项目	UESTC
WOS研究方向	Materials Science ; Physics
WOS类目	Materials Science, Coatings & Films ; Physics, Applied
WOS记录号	WOS:000289689000041
出版者	A V S AMER INST PHYSICS
引用统计
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/106706
专题	中国科学院金属研究所
通讯作者	Zhang, Zhi-Hong
作者单位	1.Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China 2.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Zhang, Zhi-Hong,Wu, Shao-Yi,Zhang, Hua-Ming. Theoretical investigations of the impurity axial displacement for ZnO:V3+[J]. JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A,2011,29(3):6.
APA	Zhang, Zhi-Hong,Wu, Shao-Yi,&Zhang, Hua-Ming.(2011).Theoretical investigations of the impurity axial displacement for ZnO:V3+.JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A,29(3),6.
MLA	Zhang, Zhi-Hong,et al."Theoretical investigations of the impurity axial displacement for ZnO:V3+".JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A 29.3(2011):6.